3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine

C9H19FN2 — CID 139416618

IUPAC3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine
SMILESCC1(C)CC(CC(F)CN)CN1
InChIInChI=1S/C9H19FN2/c1-9(2)4-7(6-12-9)3-8(10)5-11/h7-8,12H,3-6,11H2,1-2H3
InChIKeyCLKCNEOJIDETOH-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.06
Rot. Bonds3

About 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine

3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine (PubChem CID 139416618) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine
PubChem CID139416618
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine
SMILESCC1(C)CC(CC(F)CN)CN1
InChIInChI=1S/C9H19FN2/c1-9(2)4-7(6-12-9)3-8(10)5-11/h7-8,12H,3-6,11H2,1-2H3
InChIKeyCLKCNEOJIDETOH-UHFFFAOYSA-N
XLogP1.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine?
The IUPAC name of 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine (CID 139416618) is 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine is CC1(C)CC(CC(F)CN)CN1.
What is the InChIKey of 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine?
The InChIKey is CLKCNEOJIDETOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(2)4-7(6-12-9)3-8(10)5-11/h7-8,12H,3-6,11H2,1-2H3.
What are the key properties of 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine?
3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine has a molecular weight of 174.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 139416618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).